N-[1-(2,6-difluorophenyl)ethyl]hydroxylamine

C8H9F2NO — CID 82684718

IUPACN-[1-(2,6-difluorophenyl)ethyl]hydroxylamine
SMILESCC(NO)c1c(F)cccc1F
InChIInChI=1S/C8H9F2NO/c1-5(11-12)8-6(9)3-2-4-7(8)10/h2-5,11-12H,1H3
InChIKeyDQLLYRSXCNQGBV-UHFFFAOYSA-N
MW173.16 g/mol
LogP2.00
Rot. Bonds2

About N-[1-(2,6-difluorophenyl)ethyl]hydroxylamine

N-[1-(2,6-difluorophenyl)ethyl]hydroxylamine (PubChem CID 82684718) has the molecular formula C8H9F2NO and a molecular weight of 173.16 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)ethyl]hydroxylamine.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)ethyl]hydroxylamine
PubChem CID82684718
Molecular FormulaC8H9F2NO
Molecular Weight173.16 g/mol
Exact Mass173.07
IUPAC NameN-[1-(2,6-difluorophenyl)ethyl]hydroxylamine
SMILESCC(NO)c1c(F)cccc1F
InChIInChI=1S/C8H9F2NO/c1-5(11-12)8-6(9)3-2-4-7(8)10/h2-5,11-12H,1H3
InChIKeyDQLLYRSXCNQGBV-UHFFFAOYSA-N
XLogP2.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.16
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[1-(2,6-difluorophenyl)ethylamino]propan-2-ol
CID 43499407
1-(2,6-difluorophenyl)ethanol
CID 5012075
2-[1-(2,6-difluorophenyl)ethylamino]-3-methylbutan-1-ol
CID 79253650
3-[1-(2,6-difluorophenyl)ethylamino]-2-methylbutan-2-ol
CID 65337460
3-[1-(2,6-difluorophenyl)ethylamino]-2-methylpropan-1-ol
CID 65034042
N-[1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 24691254
N-[1-(2,6-difluorophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 60923909
(2R)-2-amino-N-[1-(2,6-difluorophenyl)ethyl]propanamide;hydrochloride
CID 119285523
N-[1-(2,6-difluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 43201964
2-N-[1-(2,6-difluorophenyl)ethyl]propane-1,2-diamine
CID 103389171
(2S)-2-amino-N-[1-(2,6-difluorophenyl)ethyl]-3,3-dimethylbutanamide;hydrochloride
CID 119716488
N-[1-(2,6-difluorophenyl)ethyl]-5-methylhexan-2-amine
CID 43101920

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]hydroxylamine?
The IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]hydroxylamine (CID 82684718) is N-[1-(2,6-difluorophenyl)ethyl]hydroxylamine.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)ethyl]hydroxylamine?
The canonical SMILES for N-[1-(2,6-difluorophenyl)ethyl]hydroxylamine is CC(NO)c1c(F)cccc1F.
What is the InChIKey of N-[1-(2,6-difluorophenyl)ethyl]hydroxylamine?
The InChIKey is DQLLYRSXCNQGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO/c1-5(11-12)8-6(9)3-2-4-7(8)10/h2-5,11-12H,1H3.
What are the key properties of N-[1-(2,6-difluorophenyl)ethyl]hydroxylamine?
N-[1-(2,6-difluorophenyl)ethyl]hydroxylamine has a molecular weight of 173.16 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)ethyl]hydroxylamine is sourced from PubChem (CID 82684718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).